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SECOS — Separation of component spectra — a computer program for analysis of multi-component systems

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  • Computer Program And Data Processing
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Summary

A method for the separation of mass spectra of mixtures is developed. The technique is essential for analysis of chromatographically unseparated components and it relies on the time-varying mass spectra during evaporation. It is shown to be possible, under certain insignificant restrictions, to separate the data from these mass spectra of mixtures into the mass spectra of the pure components and to give their respective concentrations. Even with no component-specific m/z-signals, the parent mass spectra, under favorable conditions, can also be calculated. The mass spectra of a mixture (carbamazepine and its 10-bromo- and 10,11-dibromo-derivative) are used to illustrate the method.

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Authors and Affiliations

  1. Department of Chemistry, Humboldt University, Hessische Strasse 1-2, DDR-1040, Berlin, German Democratic Republic

    Ch. Krüger, M. v. Löwis of Menar & R. Donau

Authors
  1. Ch. Krüger
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  2. M. v. Löwis of Menar
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  3. R. Donau
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Krüger, C., v. Löwis of Menar, M. & Donau, R. SECOS — Separation of component spectra — a computer program for analysis of multi-component systems. Fresenius J Anal Chem 338, 593–596 (1990). https://doi.org/10.1007/BF00324014

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  • DOI: https://doi.org/10.1007/BF00324014

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